N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide

C15H29N3O2 — CID 95331862

IUPACN-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
SMILESCCOCCN1CCN(CC(=O)NC2CC2)C[C@@H]1CC
InChIInChI=1S/C15H29N3O2/c1-3-14-11-17(12-15(19)16-13-5-6-13)7-8-18(14)9-10-20-4-2/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m0/s1
InChIKeyQMZCWWOXPOYPES-AWEZNQCLSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds8

About N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide

N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide (PubChem CID 95331862) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
PubChem CID95331862
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
SMILESCCOCCN1CCN(CC(=O)NC2CC2)C[C@@H]1CC
InChIInChI=1S/C15H29N3O2/c1-3-14-11-17(12-15(19)16-13-5-6-13)7-8-18(14)9-10-20-4-2/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m0/s1
InChIKeyQMZCWWOXPOYPES-AWEZNQCLSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide (CID 95331862) is N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide is CCOCCN1CCN(CC(=O)NC2CC2)C[C@@H]1CC.
What is the InChIKey of N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide?
The InChIKey is QMZCWWOXPOYPES-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-14-11-17(12-15(19)16-13-5-6-13)7-8-18(14)9-10-20-4-2/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide?
N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide has a molecular weight of 283.42 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide is sourced from PubChem (CID 95331862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).